Tyler C. Sterling's repositories
phonon-sed
Python codes to calculate phonon spectral energy density from LAMMPS velocity data.
pynamic-structure-factor
python code to calculate inelastic-neutron-scattering dynamic structure factor, S(Q,w), from molecular dynamics trajectories using parallelism over Q-points.
phonon-transmission
Harmonic phonon transmission calculations from molecular dynamics trajectories
stunning-lamp
figures and scratch work for presentations
effective-potato
scratch work for projects that dont need their own repos (yet...)
Molecular-Pynamics
Python MD Code for a semester project
Powder-Spectrum
Compute INS 'powder spectrum' by generate a 'uniform' mesh of Q-points with length |Q|, then calling SNAXS to compute SQW on the grid.
abinit-scripts
a handful of scripts for pre/post processing abinit calcs
conf
configuration files for various things, e.g. vimrc
ElectronPhononCoupling
Post-processing of electron-phonon coupling calculations from Abinit
elphmod
Python modules to handle electron-phonon models
lattice-pynamics
A python suite for analyzing lattice dynamics based on molecular dynamics trajectories
multizone_phonon_refinement
Fit phonon data from many Q-points, which come from the same reduced-q. By simultaneous fitting of many Brillouin Zones, good results can be achieved.
Phonon-Explorer
Phonons at your fingertips
wannier_tools
WannierTools: An open-source software package for novel topological materials. Full documentation: